2-[3-[3-(4-chlorophenyl)-2-(sulfinatoamino)-4,5-dihydroimidazol-4-yl]phenoxy]pyrazine

C19H15ClN5O3S- — CID 68702629

IUPAC2-[3-[3-(4-chlorophenyl)-2-(sulfinatoamino)-4,5-dihydroimidazol-4-yl]phenoxy]pyrazine
SMILESO=S([O-])NC1=NCC(c2cccc(Oc3cnccn3)c2)N1c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN5O3S/c20-14-4-6-15(7-5-14)25-17(11-23-19(25)24-29(26)27)13-2-1-3-16(10-13)28-18-12-21-8-9-22-18/h1-10,12,17H,11H2,(H,23,24)(H,26,27)/p-1
InChIKeyTVQCLDAZUYYKJR-UHFFFAOYSA-M
MW428.88 g/mol
LogP3.22
Rot. Bonds5

About 2-[3-[3-(4-chlorophenyl)-2-(sulfinatoamino)-4,5-dihydroimidazol-4-yl]phenoxy]pyrazine

2-[3-[3-(4-chlorophenyl)-2-(sulfinatoamino)-4,5-dihydroimidazol-4-yl]phenoxy]pyrazine (PubChem CID 68702629) has the molecular formula C19H15ClN5O3S- and a molecular weight of 428.88 g/mol. Its IUPAC name is 2-[3-[3-(4-chlorophenyl)-2-(sulfinatoamino)-4,5-dihydroimidazol-4-yl]phenoxy]pyrazine.

Molecular Properties

Compound Name2-[3-[3-(4-chlorophenyl)-2-(sulfinatoamino)-4,5-dihydroimidazol-4-yl]phenoxy]pyrazine
PubChem CID68702629
Molecular FormulaC19H15ClN5O3S-
Molecular Weight428.88 g/mol
Exact Mass428.06
IUPAC Name2-[3-[3-(4-chlorophenyl)-2-(sulfinatoamino)-4,5-dihydroimidazol-4-yl]phenoxy]pyrazine
SMILESO=S([O-])NC1=NCC(c2cccc(Oc3cnccn3)c2)N1c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN5O3S/c20-14-4-6-15(7-5-14)25-17(11-23-19(25)24-29(26)27)13-2-1-3-16(10-13)28-18-12-21-8-9-22-18/h1-10,12,17H,11H2,(H,23,24)(H,26,27)/p-1
InChIKeyTVQCLDAZUYYKJR-UHFFFAOYSA-M
XLogP3.22
TPSA102.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.88
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 2-[3-[3-(4-chlorophenyl)-2-(sulfinatoamino)-4,5-dihydroimidazol-4-yl]phenoxy]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5S)-1-(4-chlorophenyl)-5-(3-pyrazin-2-yloxyphenyl)-4,5-dihydroimidazol-2-yl]methanesulfonamide
CID 59486057
(5S)-1-[4-(4-chlorophenoxy)phenyl]-5-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one
CID 59485739
3-(4-chlorophenyl)-1-iodo-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one
CID 87671627
1-[4-(4-chlorophenoxy)phenyl]-2-(sulfinamoylamino)-5-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazole
CID 143702874
(4S)-3-[4-(4-chlorophenoxy)phenyl]-1-(2-methylsulfonylethyl)-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one
CID 59485933
(4S)-3-(4-chlorophenyl)-1-(2-piperazin-1-ylsulfonylethyl)-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one
CID 59486010
1-[3-(4-chlorophenyl)pyrazin-2-yl]-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one
CID 69044128
(5S)-1-[4-(4-chlorophenoxy)phenyl]-5-[3-(fluoromethyl)phenyl]-2-(sulfamoylamino)-4,5-dihydroimidazole
CID 70852468
(4S)-3-(4-chlorophenyl)-4-(3-phenoxyphenyl)-1,3-oxazolidin-2-one
CID 59485641
3-(4-chlorophenyl)-1-(2-methylsulfonylethyl)-4-(3-pyridin-2-yloxyphenyl)imidazolidin-2-one
CID 59485876
2-[3-(4-chlorophenyl)-2-oxo-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-1-yl]ethanesulfinamide
CID 143702835
2-(4-chlorophenyl)-3-(3-methoxyphenyl)-5-pyrazin-2-yl-1,2,5-thiadiazolidine 1,1-dioxide
CID 68704435

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(4-chlorophenyl)-2-(sulfinatoamino)-4,5-dihydroimidazol-4-yl]phenoxy]pyrazine?
The IUPAC name of 2-[3-[3-(4-chlorophenyl)-2-(sulfinatoamino)-4,5-dihydroimidazol-4-yl]phenoxy]pyrazine (CID 68702629) is 2-[3-[3-(4-chlorophenyl)-2-(sulfinatoamino)-4,5-dihydroimidazol-4-yl]phenoxy]pyrazine.
What is the SMILES notation for 2-[3-[3-(4-chlorophenyl)-2-(sulfinatoamino)-4,5-dihydroimidazol-4-yl]phenoxy]pyrazine?
The canonical SMILES for 2-[3-[3-(4-chlorophenyl)-2-(sulfinatoamino)-4,5-dihydroimidazol-4-yl]phenoxy]pyrazine is O=S([O-])NC1=NCC(c2cccc(Oc3cnccn3)c2)N1c1ccc(Cl)cc1.
What is the InChIKey of 2-[3-[3-(4-chlorophenyl)-2-(sulfinatoamino)-4,5-dihydroimidazol-4-yl]phenoxy]pyrazine?
The InChIKey is TVQCLDAZUYYKJR-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H16ClN5O3S/c20-14-4-6-15(7-5-14)25-17(11-23-19(25)24-29(26)27)13-2-1-3-16(10-13)28-18-12-21-8-9-22-18/h1-10,12,17H,11H2,(H,23,24)(H,26,27)/p-1.
What are the key properties of 2-[3-[3-(4-chlorophenyl)-2-(sulfinatoamino)-4,5-dihydroimidazol-4-yl]phenoxy]pyrazine?
2-[3-[3-(4-chlorophenyl)-2-(sulfinatoamino)-4,5-dihydroimidazol-4-yl]phenoxy]pyrazine has a molecular weight of 428.88 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(4-chlorophenyl)-2-(sulfinatoamino)-4,5-dihydroimidazol-4-yl]phenoxy]pyrazine is sourced from PubChem (CID 68702629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).